DFT study on band gap tunability in boron doped monolayer SiC

Our theoretical investigation reports electronic properties of B doped monolayer Silicon Carbide (SiC) in graphene like configuration (h-SiC) using density functional theory (DFT). SiC is a wide band gap semiconductor and nonmagnetic materials. A systematic investigation is performed on the tunability of electronics properties of h-SiC with respect to the doping concentration of B atoms, and respective band energies are predicted. The effect of boron doping reflects in the band structure as the doping concentration increases and band gap decrease from 2.56 eV to 1.27 eV.